Vitas-M small molecule compound

[3,9-dimethyl-7-(3-methylbutyl)-6,8-dioxo-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl]acetic acid

Catalog ID
STL010449
SMILES CC(CCn1c(=O)n(C)c2c(c1=O)n1CC(=NN(c1n2)CC(=O)O)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H22N6O4 MW 362.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N6O4/c1-9(2)5-6-20-14(25)12-13(19(4)16(20)26)17-15-21(12)7-10(3)18-22(15)8-11(23)24/h9H,5-8H2,1-4H3,(H,23,24)
InChIKey
MYIMIYYIHZUNJK-UHFFFAOYSA-N
Synonyms
919718-92-6
(39dimethyl7(3methylbutyl)68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)aceticacid
2(39dimethyl7(3methylbutyl)68dioxo4Hpurino(87c)(124)triazin1yl)aceticacid
2(39DIMETHYL7(3METHYLBUTYL)68DIOXO579TRIHYDRO4H124TRIAZINO(43H)PURINYL)ACETICACID
2(7isopentyl39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)aceticacid
919718926
CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCC(C)C)CC(=O)O
InChI=1SC16H22N6O4c19(2)562014(25)1213(19(4)16(20)26)171521(12)710(3)1822(15)811(23)24h9H58H214H3(H2324)
MFCD08542655
ZINC000009059826
ZINC9059826

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Available files

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